SCHEMBL754284

SCHEMBL754284

O=CC(OCc1ccccc1)c1cc(O)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5 P09917 3/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
AKR1B10 O60218 2/20 0.38
AKR1B1 P15121 2/20 0.38
TTR P02766 1/20 0.38
LMNA P02545 2/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC6A3 Q01959 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7068115 0.86 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL9025351 0.74 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL8467072 0.74 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL11046070 0.70 NPC1 (0.47) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL1822252 0.70 ALDH1A1 (0.48) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL6239311 0.69 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL7501665 0.69 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL4588952 0.69 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL6172748 0.69 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL8749788 0.67 ESR1 (0.46) ALOX5MAOASLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SLC1A3 3862/4885SLC1A2 4162/4885SLC1A1 3348/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.